2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole

C12H17N5S2 — CID 122160087

IUPAC2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCN(c3nc(C)c(C)s3)CC2)s1
InChIInChI=1S/C12H17N5S2/c1-8-9(2)18-11(13-8)16-4-6-17(7-5-16)12-15-14-10(3)19-12/h4-7H2,1-3H3
InChIKeyIBWMSYIIXWVZSO-UHFFFAOYSA-N
MW295.44 g/mol
LogP2.25
Rot. Bonds2

About 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole

2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole (PubChem CID 122160087) has the molecular formula C12H17N5S2 and a molecular weight of 295.44 g/mol. Its IUPAC name is 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
PubChem CID122160087
Molecular FormulaC12H17N5S2
Molecular Weight295.44 g/mol
Exact Mass295.09
IUPAC Name2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole
SMILESCc1nnc(N2CCN(c3nc(C)c(C)s3)CC2)s1
InChIInChI=1S/C12H17N5S2/c1-8-9(2)18-11(13-8)16-4-6-17(7-5-16)12-15-14-10(3)19-12/h4-7H2,1-3H3
InChIKeyIBWMSYIIXWVZSO-UHFFFAOYSA-N
XLogP2.25
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.44
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The IUPAC name of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole (CID 122160087) is 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole.
What is the SMILES notation for 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The canonical SMILES for 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole is Cc1nnc(N2CCN(c3nc(C)c(C)s3)CC2)s1.
What is the InChIKey of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
The InChIKey is IBWMSYIIXWVZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S2/c1-8-9(2)18-11(13-8)16-4-6-17(7-5-16)12-15-14-10(3)19-12/h4-7H2,1-3H3.
What are the key properties of 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole?
2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole has a molecular weight of 295.44 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dimethyl-1,3-thiazol-2-yl)piperazin-1-yl]-5-methyl-1,3,4-thiadiazole is sourced from PubChem (CID 122160087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).